methyl 2-methyl-5-oxidanylidene-7-(2-oxidanyl-4-phenyl-butyl)-4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-1,4,6,8-tetrahydro-1,7-naphthyridine-3-carboxylate hydrochloride

Systemtic Name: methyl 2-methyl-5-oxidanylidene-7-(2-oxidanyl-4-phenyl-butyl)-4-[2,3,4,5,6-pentakis(fluoranyl)phenyl]-1,4,6,8-tetrahydro-1,7-naphthyridine-3-carboxylate hydrochloride Openeye Name: methyl 7-(2-hydroxy-4-phenyl-butyl)-2-methyl-5-oxo-4-(2,3,4,5,6-pentafluorophenyl)-1,4,6,8-tetrahydro-1,7-naphthyridine-3-carboxylate hydrochloride CAS Name: 7-(2-hydroxy-4-phenylbutyl)-2-methyl-5-oxo-4-(2,3,4,5,6-pentafluorophenyl)-1,4,6,8-tetrahydro-1,7-naphthyridine-3-carboxylic acid methyl ester hydrochloride IUPAC Name: methyl 7-(2-hydroxy-4-phenylbutyl)-2-methyl-5-oxo-4-(2,3,4,5,6-pentafluorophenyl)-1,4,6,8-tetrahydro-1,7-naphthyridine-3-carboxylate hydrochloride Traditional Name: 7-(2-hydroxy-4-phenyl-butyl)-5-keto-2-methyl-4-(2,3,4,5,6-pentafluorophenyl)-1,4,6,8-tetrahydro-1,7-naphthyridine-3-carboxylic acid methyl ester hydrochloride Formula: C27H26ClF5N2O4 MolecularWeight: 572.951356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C2=C(N1)CN(CC2=O)CC(CCC3=CC=CC=C3)O)C4=C(C(=C(C(=C4F)F)F)F)F)C(=O)OC.Cl

Isomeric SMILES

CC1=C(C(C2=C(N1)CN(CC2=O)CC(CCC3=CC=CC=C3)O)C4=C(C(=C(C(=C4F)F)F)F)F)C(=O)OC.Cl

InChI

InChI=1S/C27H25F5N2O4.ClH/c1-13-18(27(37)38-2)20(21-22(28)24(30)26(32)25(31)23(21)29)19-16(33-13)11-34(12-17(19)36)10-15(35)9-8-14-6-4-3-5-7-14;/h3-7,15,20,33,35H,8-12H2,1-2H3;1H